N-(5-chloropyrazin-2-yl)-2-(trifluoromethyl)benzenesulfonamide

C11H7ClF3N3O2S — CID 103278216

IUPACN-(5-chloropyrazin-2-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cnc(Cl)cn1)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H7ClF3N3O2S/c12-9-5-17-10(6-16-9)18-21(19,20)8-4-2-1-3-7(8)11(13,14)15/h1-6H,(H,17,18)
InChIKeyJPVOCBFTIXMDEC-UHFFFAOYSA-N
MW337.71 g/mol
LogP2.95
Rot. Bonds3

About N-(5-chloropyrazin-2-yl)-2-(trifluoromethyl)benzenesulfonamide

N-(5-chloropyrazin-2-yl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 103278216) has the molecular formula C11H7ClF3N3O2S and a molecular weight of 337.71 g/mol. Its IUPAC name is N-(5-chloropyrazin-2-yl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloropyrazin-2-yl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID103278216
Molecular FormulaC11H7ClF3N3O2S
Molecular Weight337.71 g/mol
Exact Mass336.99
IUPAC NameN-(5-chloropyrazin-2-yl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cnc(Cl)cn1)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H7ClF3N3O2S/c12-9-5-17-10(6-16-9)18-21(19,20)8-4-2-1-3-7(8)11(13,14)15/h1-6H,(H,17,18)
InChIKeyJPVOCBFTIXMDEC-UHFFFAOYSA-N
XLogP2.95
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.71
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloropyrazin-2-yl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(5-chloropyrazin-2-yl)-2-(trifluoromethyl)benzenesulfonamide (CID 103278216) is N-(5-chloropyrazin-2-yl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(5-chloropyrazin-2-yl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(5-chloropyrazin-2-yl)-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1cnc(Cl)cn1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(5-chloropyrazin-2-yl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is JPVOCBFTIXMDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N3O2S/c12-9-5-17-10(6-16-9)18-21(19,20)8-4-2-1-3-7(8)11(13,14)15/h1-6H,(H,17,18).
What are the key properties of N-(5-chloropyrazin-2-yl)-2-(trifluoromethyl)benzenesulfonamide?
N-(5-chloropyrazin-2-yl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 337.71 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropyrazin-2-yl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 103278216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).